CID 22391314

2-(aminomethyl)-5-bromoaniline

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1=CC(=C(C=C1Br)N)CN
InChI
InChI=1S/C7H9BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,4,9-10H2
InChIKey
QIQCECRSRHMTQN-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-5-bromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

199.9949 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 134.4
[M+Na]+ 222.984118 145.7
[M-H]- 198.987624 140.1
[M+NH4]+ 218.028723 156.3
[M+K]+ 238.958058 133.7
[M+H-H2O]+ 182.992160 133.6
[M+HCOO]- 244.993101 157.5
[M+CH3COO]- 259.008751 186.3
[M+Na-2H]- 220.969566 141.4
[M]+ 199.99435142 149.3
[M]- 199.99544858 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe